| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:54 UTC |
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| Update Date | 2025-03-21 17:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024058 |
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| Frequency | 162.4 |
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| Structure | |
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| Chemical Formula | C7H14NO4+ |
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| Molecular Mass | 176.0917 |
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| SMILES | C[N+]1(C)CC(O)C(O)C1C(=O)O |
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| InChI Key | CXQIPUXIGFSCAV-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diolsalpha amino acidsaminesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidbeta-hydroxy acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compound1,2-diolproline or derivativesalcoholtetraalkylammonium saltazacyclen-alkylpyrrolidine1,2-aminoalcoholquaternary ammonium salthydroxy acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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